N-[(3-bromo-4-chlorophenyl)methyl]-5-chloro-2-methoxyaniline

C14H12BrCl2NO — CID 83235721

IUPACN-[(3-bromo-4-chlorophenyl)methyl]-5-chloro-2-methoxyaniline
SMILESCOc1ccc(Cl)cc1NCc1ccc(Cl)c(Br)c1
InChIInChI=1S/C14H12BrCl2NO/c1-19-14-5-3-10(16)7-13(14)18-8-9-2-4-12(17)11(15)6-9/h2-7,18H,8H2,1H3
InChIKeyJHHLPLGJXOAEEH-UHFFFAOYSA-N
MW361.07 g/mol
LogP5.38
Rot. Bonds4

About N-[(3-bromo-4-chlorophenyl)methyl]-5-chloro-2-methoxyaniline

N-[(3-bromo-4-chlorophenyl)methyl]-5-chloro-2-methoxyaniline (PubChem CID 83235721) has the molecular formula C14H12BrCl2NO and a molecular weight of 361.07 g/mol. Its IUPAC name is N-[(3-bromo-4-chlorophenyl)methyl]-5-chloro-2-methoxyaniline.

Molecular Properties

Compound NameN-[(3-bromo-4-chlorophenyl)methyl]-5-chloro-2-methoxyaniline
PubChem CID83235721
Molecular FormulaC14H12BrCl2NO
Molecular Weight361.07 g/mol
Exact Mass358.95
IUPAC NameN-[(3-bromo-4-chlorophenyl)methyl]-5-chloro-2-methoxyaniline
SMILESCOc1ccc(Cl)cc1NCc1ccc(Cl)c(Br)c1
InChIInChI=1S/C14H12BrCl2NO/c1-19-14-5-3-10(16)7-13(14)18-8-9-2-4-12(17)11(15)6-9/h2-7,18H,8H2,1H3
InChIKeyJHHLPLGJXOAEEH-UHFFFAOYSA-N
XLogP5.38
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.07
LogP ≤ 55.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[(3-bromo-4-chlorophenyl)methyl]-5-chloro-2-methoxyaniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-chloro-N-[(3-chloro-4-methoxyphenyl)methyl]-2-methoxyaniline
CID 65022123
N-[(3-bromo-4-chlorophenyl)methyl]-5-chloro-2-methylaniline
CID 83235718
N-[(3-bromo-4-chlorophenyl)methyl]-1-(3,4-dimethoxyphenyl)methanamine
CID 83232246
N-[(3-bromo-4-chlorophenyl)methyl]-4-chloro-2-fluoroaniline
CID 83236223
5-bromo-N-[(2,5-dichlorophenyl)methyl]-2-methoxyaniline
CID 65316388
3-bromo-5-chloro-2-methoxy-N-[(4-methoxy-3-methylphenyl)methyl]aniline
CID 43782333
5-chloro-N-[(3,5-dibromo-4-methoxyphenyl)methyl]-2-fluoroaniline
CID 43775987
5-chloro-2-methoxy-N-[(6-methyl-3-pyridinyl)methyl]aniline
CID 104756549
1-(3-bromo-4-methoxyphenyl)-N-[(2,4-dichlorophenyl)methyl]methanamine
CID 55378408
4-[(5-chloro-2-methoxyanilino)methyl]benzoic acid
CID 39398714
4-[(5-chloro-2-methoxyanilino)methyl]-2-ethoxyphenol
CID 28514732
4-chloro-N-[(3-chloro-4-methoxyphenyl)methyl]-2-iodoaniline
CID 107632263

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromo-4-chlorophenyl)methyl]-5-chloro-2-methoxyaniline?
The IUPAC name of N-[(3-bromo-4-chlorophenyl)methyl]-5-chloro-2-methoxyaniline (CID 83235721) is N-[(3-bromo-4-chlorophenyl)methyl]-5-chloro-2-methoxyaniline.
What is the SMILES notation for N-[(3-bromo-4-chlorophenyl)methyl]-5-chloro-2-methoxyaniline?
The canonical SMILES for N-[(3-bromo-4-chlorophenyl)methyl]-5-chloro-2-methoxyaniline is COc1ccc(Cl)cc1NCc1ccc(Cl)c(Br)c1.
What is the InChIKey of N-[(3-bromo-4-chlorophenyl)methyl]-5-chloro-2-methoxyaniline?
The InChIKey is JHHLPLGJXOAEEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrCl2NO/c1-19-14-5-3-10(16)7-13(14)18-8-9-2-4-12(17)11(15)6-9/h2-7,18H,8H2,1H3.
What are the key properties of N-[(3-bromo-4-chlorophenyl)methyl]-5-chloro-2-methoxyaniline?
N-[(3-bromo-4-chlorophenyl)methyl]-5-chloro-2-methoxyaniline has a molecular weight of 361.07 g/mol, XLogP of 5.38, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-bromo-4-chlorophenyl)methyl]-5-chloro-2-methoxyaniline is sourced from PubChem (CID 83235721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).